Chemical ID: 5280748

Cc1c(c(=O)c2ccc(cc2o1)OCc3ccc(cc3)Br)Oc4ccc(cc4)C(=O)OC
Chemical ID:
5280748
Name [?]:
methyl 4-[7-[(4-bromophenyl)methoxy]-2-methyl-4-oxo-chromen-3-yl]oxybenzoate
SMILES [?]:
Cc1c(c(=O)c2ccc(cc2o1)OCc3ccc(cc3)Br)Oc4ccc(cc4)C(=O)OC
InChi [?]:
InChI=1/C25H19BrO6/c1-15-24(32-19-9-5-17(6-10-19)25(28)29-2)23(27)21-12-11-20(13-22(21)31-15)30-14-16-3-7-18(26)8-4-16/h3-13H,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,32,16,20,25,27,17,19,24,28,8,7,10,14,2,15,26,18,23,9,6,11,4,3,29,21,5,30,31,13,12,22/E:(3,4)(5,6)(7,8)(9,10)/rA:32nCCCCOCCCCCCOOCCCCCCCBrOCCCCCCCOOC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;d6s10;s2s11;s9;s13;s14;s15;d16;s17;d18;d15s19;s18;s3;s22;s23;d24;s25;d26;d23s27;s26;d29;s29;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H19BrO6
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:11.9732
Area:680.46
Solvation:-5.03831
Coulombic:-53.1484
Bond Count [?]
All:35
Single:23
Double:12
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:495.319
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:6.08
LogP (Chemaxon):5.48

Name Annotations

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Descriptor Annotations

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